CID 3058917

75795-05-0

Structural Information

Molecular Formula
C12H4Cl2F4
SMILES
C1=C(C=C(C(=C1F)Cl)F)C2=CC(=C(C(=C2)F)Cl)F
InChI
InChI=1S/C12H4Cl2F4/c13-11-7(15)1-5(2-8(11)16)6-3-9(17)12(14)10(18)4-6/h1-4H
InChIKey
KDISJAPCJLLXAX-UHFFFAOYSA-N
Compound name
2-chloro-5-(4-chloro-3,5-difluorophenyl)-1,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.96262 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.96990 149.9
[M+Na]+ 316.95184 164.4
[M-H]- 292.95534 152.1
[M+NH4]+ 311.99644 167.7
[M+K]+ 332.92578 156.2
[M+H-H2O]+ 276.95988 141.8
[M+HCOO]- 338.96082 161.1
[M+CH3COO]- 352.97647 202.1
[M+Na-2H]- 314.93729 151.4
[M]+ 293.96207 149.9
[M]- 293.96317 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe